2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

C13H27ClN2O — CID 119781918

IUPAC2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCC(CC(C)C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)7-12-5-6-15(9-12)13(16)11(3)8-14-4;/h10-12,14H,5-9H2,1-4H3;1H
InChIKeyFIAKLZPONCGRNQ-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.16
Rot. Bonds5

About 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119781918) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID119781918
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCC(CC(C)C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)7-12-5-6-15(9-12)13(16)11(3)8-14-4;/h10-12,14H,5-9H2,1-4H3;1H
InChIKeyFIAKLZPONCGRNQ-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
2-methyl-3-(methylamino)-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119894722
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119851917
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 103810683
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79201986
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
3-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]propanoic acid
CID 79201596
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 119781918) is 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is CNCC(C)C(=O)N1CCC(CC(C)C)C1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is FIAKLZPONCGRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)7-12-5-6-15(9-12)13(16)11(3)8-14-4;/h10-12,14H,5-9H2,1-4H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119781918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).